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vincefnvincefn
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Update Fox version.
Add fenske-hall z-matrix with hydrogens to cimetidine tutorial. Update macOS build config and makefile with wxwidgets 3.1.6. Remove obsolete makefiles.
1 parent d1211ce commit 1b40348

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+31
-638
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13 files changed

+31
-638
lines changed

‎Fox/Fox.xcodeproj/project.pbxproj

Lines changed: 4 additions & 4 deletions
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@@ -142,6 +142,7 @@
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BF3EB05508968F5500E02367 /* uctbx.cpp in Sources */ = {isa = PBXBuildFile; fileRef = BF3EB05408968F5500E02367 /* uctbx.cpp */; };
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BF3EB063089690D200E02367 /* spoil_optimization.cpp in Sources */ = {isa = PBXBuildFile; fileRef = BF3EB062089690D200E02367 /* spoil_optimization.cpp */; };
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BF49CDF01B0BC56E0012BF3B /* covalent_radii.cpp in Sources */ = {isa = PBXBuildFile; fileRef = BF49CDEF1B0BC56E0012BF3B /* covalent_radii.cpp */; };
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BF5EBF13283F8CB2000D09FE /* QuartzCore.framework in Frameworks */ = {isa = PBXBuildFile; fileRef = BF5EBF12283F8CB2000D09FE /* QuartzCore.framework */; };
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BF69C4D1124F8C310035CF57 /* FoxClient.cpp in Sources */ = {isa = PBXBuildFile; fileRef = BF69C4C8124F8C310035CF57 /* FoxClient.cpp */; };
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BF69C4D2124F8C310035CF57 /* FoxJob.cpp in Sources */ = {isa = PBXBuildFile; fileRef = BF69C4C9124F8C310035CF57 /* FoxJob.cpp */; };
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BF69C4D3124F8C310035CF57 /* FoxServer.cpp in Sources */ = {isa = PBXBuildFile; fileRef = BF69C4CA124F8C310035CF57 /* FoxServer.cpp */; };
@@ -156,7 +157,6 @@
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BFE729E5243A6A7000BABE40 /* libwx_osx_cocoau-3.1.a in Frameworks */ = {isa = PBXBuildFile; fileRef = BFF7D0C01478047800799F7A /* libwx_osx_cocoau-3.1.a */; };
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BFE729E6243A6A7300BABE40 /* libwxjpeg-3.1.a in Frameworks */ = {isa = PBXBuildFile; fileRef = BFF7D0C11478047800799F7A /* libwxjpeg-3.1.a */; };
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BFE729E7243A6A7600BABE40 /* libwxpng-3.1.a in Frameworks */ = {isa = PBXBuildFile; fileRef = BFF7D0C21478047800799F7A /* libwxpng-3.1.a */; };
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BFE729E8243A6A7900BABE40 /* libwxregexu-3.1.a in Frameworks */ = {isa = PBXBuildFile; fileRef = BFF7D0C31478047800799F7A /* libwxregexu-3.1.a */; };
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BFFB474E0E5E0E620027591E /* wxLSQ.cpp in Sources */ = {isa = PBXBuildFile; fileRef = BFFB474D0E5E0E620027591E /* wxLSQ.cpp */; };
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BFFCCB670890296D00044EBA /* bandmat.cpp in Sources */ = {isa = PBXBuildFile; fileRef = BFFCCB660890296D00044EBA /* bandmat.cpp */; };
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BFFCCBA0089029F400044EBA /* cholesky.cpp in Sources */ = {isa = PBXBuildFile; fileRef = BFFCCB6A089029F400044EBA /* cholesky.cpp */; };
@@ -346,6 +346,7 @@
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BF3EB05408968F5500E02367 /* uctbx.cpp */ = {isa = PBXFileReference; fileEncoding = 30; lastKnownFileType = sourcecode.cpp.cpp; name = uctbx.cpp; path = ../cctbx/cctbx/uctbx/uctbx.cpp; sourceTree = "<group>"; };
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BF3EB062089690D200E02367 /* spoil_optimization.cpp */ = {isa = PBXFileReference; fileEncoding = 30; lastKnownFileType = sourcecode.cpp.cpp; name = spoil_optimization.cpp; path = ../cctbx/cctbx/uctbx/spoil_optimization.cpp; sourceTree = "<group>"; };
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BF49CDEF1B0BC56E0012BF3B /* covalent_radii.cpp */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.cpp.cpp; name = covalent_radii.cpp; path = ../cctbx/cctbx/eltbx/covalent_radii.cpp; sourceTree = "<group>"; };
349+
BF5EBF12283F8CB2000D09FE /* QuartzCore.framework */ = {isa = PBXFileReference; lastKnownFileType = wrapper.framework; name = QuartzCore.framework; path = System/Library/Frameworks/QuartzCore.framework; sourceTree = SDKROOT; };
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BF69C4C8124F8C310035CF57 /* FoxClient.cpp */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.cpp.cpp; name = FoxClient.cpp; path = src/FoxClient.cpp; sourceTree = "<group>"; };
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BF69C4C9124F8C310035CF57 /* FoxJob.cpp */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.cpp.cpp; name = FoxJob.cpp; path = src/FoxJob.cpp; sourceTree = "<group>"; };
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BF69C4CA124F8C310035CF57 /* FoxServer.cpp */ = {isa = PBXFileReference; fileEncoding = 4; lastKnownFileType = sourcecode.cpp.cpp; name = FoxServer.cpp; path = src/FoxServer.cpp; sourceTree = "<group>"; };
@@ -362,7 +363,6 @@
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BFF7D0C01478047800799F7A /* libwx_osx_cocoau-3.1.a */ = {isa = PBXFileReference; lastKnownFileType = archive.ar; name = "libwx_osx_cocoau-3.1.a"; path = "../static-libs/lib/libwx_osx_cocoau-3.1.a"; sourceTree = "<group>"; };
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BFF7D0C11478047800799F7A /* libwxjpeg-3.1.a */ = {isa = PBXFileReference; lastKnownFileType = archive.ar; name = "libwxjpeg-3.1.a"; path = "../static-libs/lib/libwxjpeg-3.1.a"; sourceTree = "<group>"; };
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BFF7D0C21478047800799F7A /* libwxpng-3.1.a */ = {isa = PBXFileReference; lastKnownFileType = archive.ar; name = "libwxpng-3.1.a"; path = "../static-libs/lib/libwxpng-3.1.a"; sourceTree = "<group>"; };
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BFF7D0C31478047800799F7A /* libwxregexu-3.1.a */ = {isa = PBXFileReference; lastKnownFileType = archive.ar; name = "libwxregexu-3.1.a"; path = "../static-libs/lib/libwxregexu-3.1.a"; sourceTree = "<group>"; };
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BFFB474D0E5E0E620027591E /* wxLSQ.cpp */ = {isa = PBXFileReference; fileEncoding = 30; lastKnownFileType = sourcecode.cpp.cpp; name = wxLSQ.cpp; path = ../ObjCryst/wxCryst/wxLSQ.cpp; sourceTree = SOURCE_ROOT; };
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BFFCCB5D089028E500044EBA /* libnewmat.a */ = {isa = PBXFileReference; explicitFileType = archive.ar; includeInIndex = 0; path = libnewmat.a; sourceTree = BUILT_PRODUCTS_DIR; };
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BFFCCB660890296D00044EBA /* bandmat.cpp */ = {isa = PBXFileReference; fileEncoding = 30; lastKnownFileType = sourcecode.cpp.cpp; name = bandmat.cpp; path = ../newmat/bandmat.cpp; sourceTree = "<group>"; };
@@ -1946,8 +1946,8 @@
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buildActionMask = 2147483647;
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files = (
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BF1DE1130D228E6100A3939D /* AGL.framework in Frameworks */,
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BF5EBF13283F8CB2000D09FE /* QuartzCore.framework in Frameworks */,
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BF1DE1140D228E6100A3939D /* Carbon.framework in Frameworks */,
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BFE729E8243A6A7900BABE40 /* libwxregexu-3.1.a in Frameworks */,
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BFE729E6243A6A7300BABE40 /* libwxjpeg-3.1.a in Frameworks */,
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BF1DE1150D228E6100A3939D /* System.framework in Frameworks */,
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BF1DE1160D228E6100A3939D /* IOKit.framework in Frameworks */,
@@ -2265,6 +2265,7 @@
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BF9466CB2205A0BB0086B9DC /* Frameworks */ = {
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isa = PBXGroup;
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children = (
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BF5EBF12283F8CB2000D09FE /* QuartzCore.framework */,
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);
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name = Frameworks;
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sourceTree = "<group>";
@@ -2276,7 +2277,6 @@
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BFF7D0C01478047800799F7A /* libwx_osx_cocoau-3.1.a */,
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BFF7D0C11478047800799F7A /* libwxjpeg-3.1.a */,
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BFF7D0C21478047800799F7A /* libwxpng-3.1.a */,
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BFF7D0C31478047800799F7A /* libwxregexu-3.1.a */,
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BF1DE1230D228EA500A3939D /* libfftw3f.a */,
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BF36112F0BD6E409000C0EE9 /* WebKit.framework */,
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BF36112B0BD6E3F5000C0EE9 /* GLUT.framework */,

‎Fox/bc32.mak

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‎Fox/gnu.mak

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@@ -33,7 +33,7 @@ clean: tidy
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tidy:
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$(MAKE) -f gnu.mak -C src tidy
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$(MAKE) -f gnu.mak -C ${BUILD_DIR}/ObjCryst tidy
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${RM} -Rf ${BUILD_DIR}/fftw-3.3.4 ${BUILD_DIR}/newmat ${BUILD_DIR}/wxWidgets-3.1.4
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${RM} -Rf ${BUILD_DIR}/fftw-3.3.4 ${BUILD_DIR}/newmat ${BUILD_DIR}/wxWidgets-3.1.6
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#install Fox in /usr/local/bin
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install:

‎Fox/macosx.mak

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@@ -1,3 +1,7 @@
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# NOTE: beware of multiple installed libraries, when using homebrew or macports.
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# For example iconv in /usr/lib and /opt/local/lib, leading to link errors...
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# For a clean compile exluding non-system libraries, use "PATH=/usr/bin:/bin:/usr/sbin:/sbin make Fox"
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# Which command to use for download ?
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CURL=$(shell which curl 2>/dev/null)
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ifneq ($(CURL),)
@@ -6,10 +10,16 @@ else
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DOWNLOAD_COMMAND=wget
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endif
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../cctbx:
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../cctbx.tar.bz2:
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cd .. && $(DOWNLOAD_COMMAND) https://github.com/vincefn/objcryst/releases/download/v2021-3rdPartyLibs/cctbx.tar.bz2
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../cctbx: ../cctbx.tar.bz2
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cd .. && tar -xjf cctbx.tar.bz2
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../newmat:
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../newmat.tar.bz2:
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cd .. && $(DOWNLOAD_COMMAND) https://github.com/vincefn/objcryst/releases/download/v2021-3rdPartyLibs/newmat.tar.bz2
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../newmat: ../newmat.tar.bz2
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cd .. && tar -xjf newmat.tar.bz2
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../fftw-3.3.4.tar.gz:
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libfftw: ../static-libs/lib/libfftw3f.a
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../wxWidgets-3.1.4.tar.bz2:
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cd .. && $(DOWNLOAD_COMMAND) https://github.com/wxWidgets/wxWidgets/releases/download/v3.1.4/wxWidgets-3.1.4.tar.bz2
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../wxWidgets-3.1.6.tar.bz2:
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cd .. && $(DOWNLOAD_COMMAND) https://github.com/wxWidgets/wxWidgets/releases/download/v3.1.6/wxWidgets-3.1.6.tar.bz2
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../static-libs/bin/wx-config: ../wxWidgets-3.1.4.tar.bz2
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cd .. && tar -xjf wxWidgets-3.1.4.tar.bz2
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cd ../wxWidgets-3.1.4 && ./configure --with-opengl --disable-debug --disable-webviewwebkit --enable-optimise --disable-shared --enable-monolithic --disable-mediactrl --without-libtiff --enable-cxx11 --prefix=$(PWD)/../static-libs && make -j4 install
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rm -Rf ../wxWidgets-3.1.4
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../static-libs/bin/wx-config: ../wxWidgets-3.1.6.tar.bz2
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cd .. && tar -xjf wxWidgets-3.1.6.tar.bz2
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cd ../wxWidgets-3.1.6 && ./configure --with-opengl --disable-debug --disable-webviewwebkit --enable-optimise --disable-shared --enable-monolithic --disable-mediactrl --without-libtiff --enable-cxx11 --prefix=$(PWD)/../static-libs && make -j4 install
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rm -Rf ../wxWidgets-3.1.6
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libwx: ../static-libs/bin/wx-config
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‎Fox/src/Fox.cpp

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@@ -96,7 +96,7 @@ using namespace std;
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// Rough version number - must be updated at least for every major version or critical update
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// This is used to check for updates...
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// Now using YYYY### (4-digit year + 3 number for the version)
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#define __FOXREVISION__ 2021001
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#define __FOXREVISION__ 2022001
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static std::string foxVersion;
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‎Fox/vc.mak

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‎ObjCryst/bc32.mak

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