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3 Commits

Author SHA1 Message Date
Maarten L. Hekkelman
71f7e7c741 Version bump, changelog updated 2021-10-13 11:51:12 +02:00
Maarten L. Hekkelman
cff099596e Fix installation rules for CCD data 2021-10-13 11:32:10 +02:00
Maarten L. Hekkelman
e182604455 Fix all tests to work with embedded data, no CCD, part 4 2021-10-13 11:23:17 +02:00
4 changed files with 12 additions and 4 deletions

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@@ -25,7 +25,7 @@
cmake_minimum_required(VERSION 3.16)
# set the project name
project(cifpp VERSION 2.0.1 LANGUAGES CXX)
project(cifpp VERSION 2.0.2 LANGUAGES CXX)
list(PREPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake")
@@ -364,7 +364,7 @@ install(
install(FILES
${PROJECT_SOURCE_DIR}/rsrc/mmcif_ddl.dic
${PROJECT_SOURCE_DIR}/rsrc/mmcif_pdbx_v50.dic
${PROJECT_SOURCE_DIR}/data/components.cif
${COMPONENTS_CIF}
DESTINATION ${SHARE_INSTALL_DIR}
)

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@@ -1,3 +1,10 @@
Version 2.0.2
- Added configuration flag to disable downloading CCD data during build
Note that there are now two flags for CCD data:
DOWNLOAD_CCD to enable downloading during build
INSTALL_UPDATE_SCRIPT to install an update mechanism for this file
- Updated unit tests to work even if no CCD data is available
Version 2.0.1
- Fixed the generator for the symmetry operator table

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@@ -1243,6 +1243,9 @@ void addDataDirectory(std::filesystem::path dataDir)
void addFileResource(const std::string &name, std::filesystem::path dataFile)
{
if (not fs::exists(dataFile))
throw std::runtime_error("Attempt to add a file resource for " + name + " that does not exist: " + dataFile.string());
gLocalResources[name] = dataFile;
}

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@@ -1532,8 +1532,6 @@ BOOST_AUTO_TEST_CASE(bondmap_1)
{
cif::VERBOSE = 2;
cif::addFileResource("components.cif", gTestDir / ".." / "data" / "components.cif");
// sections taken from CCD compounds.cif
auto components = R"(
data_ASN